4-[[4-(2,3-dichlorophenyl)quinazolin-2-yl]amino]-N-[5-[(dimethylamino)methyl]-2-methylphenyl]benzamide

C31H27Cl2N5O — CID 25073323

IUPAC4-[[4-(2,3-dichlorophenyl)quinazolin-2-yl]amino]-N-[5-[(dimethylamino)methyl]-2-methylphenyl]benzamide
SMILESCc1ccc(CN(C)C)cc1NC(=O)c1ccc(Nc2nc(-c3cccc(Cl)c3Cl)c3ccccc3n2)cc1
InChIInChI=1S/C31H27Cl2N5O/c1-19-11-12-20(18-38(2)3)17-27(19)35-30(39)21-13-15-22(16-14-21)34-31-36-26-10-5-4-7-23(26)29(37-31)24-8-6-9-25(32)28(24)33/h4-17H,18H2,1-3H3,(H,35,39)(H,34,36,37)
InChIKeyLIVWRSLWMPOFSZ-UHFFFAOYSA-N
MW556.50 g/mol
LogP7.97
Rot. Bonds7

About 4-[[4-(2,3-dichlorophenyl)quinazolin-2-yl]amino]-N-[5-[(dimethylamino)methyl]-2-methylphenyl]benzamide

4-[[4-(2,3-dichlorophenyl)quinazolin-2-yl]amino]-N-[5-[(dimethylamino)methyl]-2-methylphenyl]benzamide (PubChem CID 25073323) has the molecular formula C31H27Cl2N5O and a molecular weight of 556.50 g/mol. Its IUPAC name is 4-[[4-(2,3-dichlorophenyl)quinazolin-2-yl]amino]-N-[5-[(dimethylamino)methyl]-2-methylphenyl]benzamide.

Molecular Properties

Compound Name4-[[4-(2,3-dichlorophenyl)quinazolin-2-yl]amino]-N-[5-[(dimethylamino)methyl]-2-methylphenyl]benzamide
PubChem CID25073323
Molecular FormulaC31H27Cl2N5O
Molecular Weight556.50 g/mol
Exact Mass555.16
IUPAC Name4-[[4-(2,3-dichlorophenyl)quinazolin-2-yl]amino]-N-[5-[(dimethylamino)methyl]-2-methylphenyl]benzamide
SMILESCc1ccc(CN(C)C)cc1NC(=O)c1ccc(Nc2nc(-c3cccc(Cl)c3Cl)c3ccccc3n2)cc1
InChIInChI=1S/C31H27Cl2N5O/c1-19-11-12-20(18-38(2)3)17-27(19)35-30(39)21-13-15-22(16-14-21)34-31-36-26-10-5-4-7-23(26)29(37-31)24-8-6-9-25(32)28(24)33/h4-17H,18H2,1-3H3,(H,35,39)(H,34,36,37)
InChIKeyLIVWRSLWMPOFSZ-UHFFFAOYSA-N
XLogP7.97
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500556.50
LogP ≤ 57.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[[4-(2,3-dichlorophenyl)quinazolin-2-yl]amino]-N-[5-[(dimethylamino)methyl]-2-methylphenyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[4-(2-bromophenyl)quinazolin-2-yl]amino]-N-[5-[(dimethylamino)methyl]-2-methylphenyl]benzamide
CID 25073319
4-[[4-(5-aminocyclopenta-1,3-dien-1-yl)quinazolin-2-yl]amino]-N-[5-[(dimethylamino)methyl]-2-methylphenyl]benzamide
CID 25073626
N-[2-(aminomethyl)-5-[(dimethylamino)methyl]phenyl]-4-[[4-(2,6-difluorophenyl)quinazolin-2-yl]amino]benzamide
CID 174721233
N-[5-(2-cyclopropylethyl)-2-methylphenyl]-4-[(4-phenylquinazolin-2-yl)amino]benzamide
CID 159012205
N-[2-methyl-5-[(4-methylpiperazin-1-yl)methyl]phenyl]-4-[(4-phenylquinazolin-2-yl)amino]benzamide;molecular hydrogen
CID 145476375
N-[5-[2-(dimethylamino)ethylsulfamoyl]-2-methylphenyl]-4-[(4-phenylquinazolin-2-yl)amino]benzamide
CID 25073629
N-[5-[(dimethylamino)methyl]-2-methylphenyl]-4-[[4-(4-fluorophenyl)-5-methylsulfanylpyrimidin-2-yl]amino]benzamide
CID 134541388
azane;cyclobutane-1,1-dicarboxylate;N-[2-methyl-5-(methylaminomethyl)phenyl]-4-[(4-phenylquinazolin-2-yl)amino]benzamide;platinum(2+)
CID 71506892
3-(2-aminoquinazolin-4-yl)-N-(2,3-dichlorophenyl)-4-methylbenzamide
CID 71268346
N-[3-[(2-hydroxyethylamino)methyl]-2-methylphenyl]-4-[(4-phenylquinazolin-2-yl)amino]benzamide
CID 69045980
3-benzamido-N-(2,3-dichlorophenyl)-4-methylbenzamide
CID 17226451
4-[2-[4-[(2,6-dimethylphenyl)carbamoyl]anilino]quinazolin-4-yl]benzamide
CID 25071136

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(2,3-dichlorophenyl)quinazolin-2-yl]amino]-N-[5-[(dimethylamino)methyl]-2-methylphenyl]benzamide?
The IUPAC name of 4-[[4-(2,3-dichlorophenyl)quinazolin-2-yl]amino]-N-[5-[(dimethylamino)methyl]-2-methylphenyl]benzamide (CID 25073323) is 4-[[4-(2,3-dichlorophenyl)quinazolin-2-yl]amino]-N-[5-[(dimethylamino)methyl]-2-methylphenyl]benzamide.
What is the SMILES notation for 4-[[4-(2,3-dichlorophenyl)quinazolin-2-yl]amino]-N-[5-[(dimethylamino)methyl]-2-methylphenyl]benzamide?
The canonical SMILES for 4-[[4-(2,3-dichlorophenyl)quinazolin-2-yl]amino]-N-[5-[(dimethylamino)methyl]-2-methylphenyl]benzamide is Cc1ccc(CN(C)C)cc1NC(=O)c1ccc(Nc2nc(-c3cccc(Cl)c3Cl)c3ccccc3n2)cc1.
What is the InChIKey of 4-[[4-(2,3-dichlorophenyl)quinazolin-2-yl]amino]-N-[5-[(dimethylamino)methyl]-2-methylphenyl]benzamide?
The InChIKey is LIVWRSLWMPOFSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H27Cl2N5O/c1-19-11-12-20(18-38(2)3)17-27(19)35-30(39)21-13-15-22(16-14-21)34-31-36-26-10-5-4-7-23(26)29(37-31)24-8-6-9-25(32)28(24)33/h4-17H,18H2,1-3H3,(H,35,39)(H,34,36,37).
What are the key properties of 4-[[4-(2,3-dichlorophenyl)quinazolin-2-yl]amino]-N-[5-[(dimethylamino)methyl]-2-methylphenyl]benzamide?
4-[[4-(2,3-dichlorophenyl)quinazolin-2-yl]amino]-N-[5-[(dimethylamino)methyl]-2-methylphenyl]benzamide has a molecular weight of 556.50 g/mol, XLogP of 7.97, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(2,3-dichlorophenyl)quinazolin-2-yl]amino]-N-[5-[(dimethylamino)methyl]-2-methylphenyl]benzamide is sourced from PubChem (CID 25073323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).